N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propionamide Formula: C16H16N4O3S2 MolecularWeight: 376.45324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCSC3=NC(=CC(=O)N3)O)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCSC3=NC(=CC(=O)N3)O)C#N

InChI

InChI=1S/C16H16N4O3S2/c17-8-10-9-3-1-2-4-11(9)25-15(10)18-12(21)5-6-24-16-19-13(22)7-14(23)20-16/h7H,1-6H2,(H,18,21)(H2,19,20,22,23)